4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide

C26H25N7O — CID 167511728

About 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide

4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 167511728) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 167511728
• Molecular Formula: C26H25N7O
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.21
• IUPAC Name: 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide
• SMILES: CCNc1cc2ncc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)cnc3C)cc2cn1
• InChI: InChI=1S/C26H25N7O/c1-5-28-24-11-22-18(13-32-24)8-17(12-31-22)21-10-20(14-30-16(21)2)33-25(34)23-9-19(6-7-29-23)26(3,4)15-27/h6-14H,5H2,1-4H3,(H,28,32)(H,33,34)
• InChIKey: JXLOMJFIURWXBC-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 116.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide (CID 167511728) is 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide is CCNc1cc2ncc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)cnc3C)cc2cn1.

What is the InChIKey of 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide?

The InChIKey is JXLOMJFIURWXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-5-28-24-11-22-18(13-32-24)8-17(12-31-22)21-10-20(14-30-16(21)2)33-25(34)23-9-19(6-7-29-23)26(3,4)15-27/h6-14H,5H2,1-4H3,(H,28,32)(H,33,34).

What are the key properties of 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide?

4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 167511728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).